4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide

C24H28N6O3 — CID 139350681

IUPAC4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@H]3C)ccn2)c1
InChIInChI=1S/C24H28N6O3/c1-15(9-22-28-26-14-29(22)3)17-5-4-6-19(11-17)27-23(32)21-12-18(7-8-25-21)24(33)30-13-20(31)10-16(30)2/h4-8,11-12,14-16,20,31H,9-10,13H2,1-3H3,(H,27,32)/t15-,16-,20+/m1/s1
InChIKeyFNKFNQKSYJVTOE-QINHECLXSA-N
MW448.53 g/mol
LogP2.40
Rot. Bonds6

About 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide

4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (PubChem CID 139350681) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
PubChem CID139350681
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@H]3C)ccn2)c1
InChIInChI=1S/C24H28N6O3/c1-15(9-22-28-26-14-29(22)3)17-5-4-6-19(11-17)27-23(32)21-12-18(7-8-25-21)24(33)30-13-20(31)10-16(30)2/h4-8,11-12,14-16,20,31H,9-10,13H2,1-3H3,(H,27,32)/t15-,16-,20+/m1/s1
InChIKeyFNKFNQKSYJVTOE-QINHECLXSA-N
XLogP2.40
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

2-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrimidine-4-carboxamide
CID 139360604
USRE48711, Example 208
CID 58103055
USRE48711, Example 206
CID 58103086
6-cyclopropyl-5-(hydroxymethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139349590
4-(4-hydroxy-3,3-dimethylpyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139349601
2-cyclopropyl-6-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]pyrimidine-4-carboxamide
CID 139350106
6-(2-hydroxyethyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350184
4-(3,3-difluoro-4-hydroxypyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350370
4-(3-hydroxy-2,2-dimethylpyrrolidine-1-carbonyl)-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350504
4-[(3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide
CID 139350563
N-[3-[(2R)-1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 139350938
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 139360648

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide (CID 139350681) is 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2cc(C(=O)N3C[C@@H](O)C[C@H]3C)ccn2)c1.
What is the InChIKey of 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is FNKFNQKSYJVTOE-QINHECLXSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15(9-22-28-26-14-29(22)3)17-5-4-6-19(11-17)27-23(32)21-12-18(7-8-25-21)24(33)30-13-20(31)10-16(30)2/h4-8,11-12,14-16,20,31H,9-10,13H2,1-3H3,(H,27,32)/t15-,16-,20+/m1/s1.
What are the key properties of 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide?
4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 139350681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).